| 1 |
Phenol-Quinone Tautomerism in (Arylazo)naphthols and the Analogous Schiff Bases: Benchmark Calculations
Ali ST, Antonov L, Fabian WMF
Journal of Physical Chemistry A, 118(4), 778, 2014 |
| 2 |
A Highly Efficient ADH-Coupled NADH-Recycling System for the Asymmetric Bioreduction of Carbon-Carbon Double Bonds Using Enoate Reductases
Tauber K, Hall M, Kroutil W, Fabian WMF, Faber K, Glueck SM
Biotechnology and Bioengineering, 108(6), 1462, 2011 |
| 3 |
Coordination of Methanol Clusters to Benzene: A Computational Study
Matisz G, Kelterer AM, Fabian WMF, Kunsagi-Mate S
Journal of Physical Chemistry A, 115(38), 10556, 2011 |
| 4 |
Application of the Quantum Cluster Equilibrium (QCE) Model for the Liquid Phase of Primary Alcohols Using B3LYP and B3LYP-D DFT Methods
Matisz G, Kelterer AM, Fabian WMF, Kunsagi-Mate S
Journal of Physical Chemistry B, 115(14), 3936, 2011 |
| 5 |
Theoretical Prediction of pK(a) Values of Seleninic, Selenenic, Sulfinic, and Carboxylic Acids by Quantum-Chemical Methods
Ali ST, Karamat S, Kona J, Fabian WMF
Journal of Physical Chemistry A, 114(47), 12470, 2010 |
| 6 |
Interaction of methyl,beta-D-xylopyranoside with metal ions: Density functional theory study of cationic and neutral bridging and pendant complexes
Karamat S, Fabian WMF
Journal of Physical Chemistry A, 112(8), 1823, 2008 |
| 7 |
Thermochemical properties of stable intermediates and derived radicals for the gas-phase formation of 1,3,6,8-and 1,3,7,9-tetrachlorodibenzo-p-dioxins from 2,4,6-trichlorophenol: A computational G3MP2B3 study
Fabian WMF, Janoschek R
Combustion and Flame, 145(1-2), 282, 2006 |
| 8 |
Computational study of the conformational space of methyl 2,4-diacetyl-beta-D-xylopyranoside: C-4(1) and C-1(4) chairs, skew-boats ((SO)-S-2, S-1(3)), and B-3,B-o boat forms
Karamat S, Fabian WMF
Journal of Physical Chemistry A, 110(23), 7477, 2006 |
| 9 |
Theoretical study of the enol imine <-> enaminone tautomeric equilibrium in organic solvents
Nagy PI, Fabian WMF
Journal of Physical Chemistry B, 110(49), 25026, 2006 |
| 10 |
An ab initio and density functional study on the ring-chain tautomerism of (Z)-3-formyl-acrylic acid
Skrinarova Z, Bowden K, Fabian WMF
Chemical Physics Letters, 316(5-6), 531, 2000 |
